SCHEMBL6569406

SCHEMBL6569406

CCC(CC)P(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
TRPA1 O75762 2/20 0.33
KCNN4 O15554 1/20 0.33
MIF P14174 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HKDC1 Q2TB90 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12761305 0.91 LMNA (0.37) LMNACYP3A4TDP1TP53GPR84
SCHEMBL28388839 0.87 TAAR1 (0.39) LMNACYP3A4TDP1TP53GPR84
SCHEMBL2313796 0.87 GPR84 (0.37) LMNACYP3A4TDP1TP53GPR84
SCHEMBL2994488 0.85 LMNA (0.33) LMNACYP3A4TDP1TP53GPR84
Hydrochloric Acid SCHEMBL28392868 0.85 TAAR1 (0.38) LMNACYP3A4TDP1GPR84
SCHEMBL499140 0.85 LMNA (0.33) LMNACYP3A4TDP1TP53GPR84
SCHEMBL2831139 0.85 LMNA (0.33) LMNACYP3A4TDP1TP53GPR84
Hydrochloric Acid SCHEMBL2148300 0.85 LMNA (0.33) LMNACYP3A4TDP1TP53GPR84
Hydrochloric Acid SCHEMBL9819186 0.83 LMNA (0.32) LMNACYP3A4TDP1GPR84
SCHEMBL28987700 0.83 TRPA1 (0.38) LMNACYP3A4TDP1GPR84ESR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104115296-A Organic electronic device NOVALED GMBH 2014-10-22 CN disclosed
CN-102960063-A Organic EL element and method for producing same PANASONIC CORP 2013-03-06 CN disclosed
CN-102668156-A Organic electroluminescent element and novel alcohol-soluble phosphorescent material DAIDEN CO LTD 2012-09-12 CN disclosed
EP-0927577-B1 Ruthenium metathesis catalyst and method for olefin metathesis using the same TAKASAGO PERFUMERY CO LTD (JP) 2004-06-23 EP disclosed
US-6313365-B1 Ruthenium metathesis catalyst and method for producing olefin reaction product by metathesis reaction using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-06 US disclosed
US-6175047-B1 A CATALYST MIXTURE INCLUDING A RUTHENIUM COMPOUND, A DIHALOGENO COMPOUND, A TERMINAL ALKYNE; AS A CATALYST FOR A CARBON-CARBON BOND FORMATION REACTION TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-01-16 US disclosed
EP-0927577-A1 Ruthenium metathesis catalyst and method for producing olefin reaction product by metathesis reaction using the same Takasago International Corporation (JP) 1999-07-07 EP disclosed